2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate

C16H22O11 — CID 59601723

IUPAC2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate
SMILESC=COC(=O)OC(C)C(=O)OCCOCCOC(=O)C(C)OC(=O)OC=C
InChIInChI=1S/C16H22O11/c1-5-22-15(19)26-11(3)13(17)24-9-7-21-8-10-25-14(18)12(4)27-16(20)23-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyBHDZKFAYXRRWHK-UHFFFAOYSA-N
MW390.34 g/mol
LogP1.46
Rot. Bonds12

About 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate

2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate (PubChem CID 59601723) has the molecular formula C16H22O11 and a molecular weight of 390.34 g/mol. Its IUPAC name is 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate.

Molecular Properties

Compound Name2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate
PubChem CID59601723
Molecular FormulaC16H22O11
Molecular Weight390.34 g/mol
Exact Mass390.12
IUPAC Name2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate
SMILESC=COC(=O)OC(C)C(=O)OCCOCCOC(=O)C(C)OC(=O)OC=C
InChIInChI=1S/C16H22O11/c1-5-22-15(19)26-11(3)13(17)24-9-7-21-8-10-25-14(18)12(4)27-16(20)23-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyBHDZKFAYXRRWHK-UHFFFAOYSA-N
XLogP1.46
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethenyl 1-fluoroethyl carbonate
CID 90239988
ethenyl 1-methylsilylethyl carbonate
CID 174052005
[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate
CID 163510228
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
(2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate
CID 19748653
ethenyl acetate;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 159266076
2-bromoethyl 2-prop-2-enoyloxypropanoate
CID 121344446
2-(3,3-dimethylbutoxy)ethyl 2-(2-hydroxyacetyl)oxypropanoate
CID 176777367
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793
2-(2-methoxyethoxy)ethyl 2-methylsulfonyloxypropanoate
CID 57132105
ethenyl 2-aminopropanoate
CID 23374910
bis(ethenyl) carbonate;ethene
CID 87073622

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate?
The IUPAC name of 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate (CID 59601723) is 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate.
What is the SMILES notation for 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate?
The canonical SMILES for 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate is C=COC(=O)OC(C)C(=O)OCCOCCOC(=O)C(C)OC(=O)OC=C.
What is the InChIKey of 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate?
The InChIKey is BHDZKFAYXRRWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O11/c1-5-22-15(19)26-11(3)13(17)24-9-7-21-8-10-25-14(18)12(4)27-16(20)23-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate?
2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate has a molecular weight of 390.34 g/mol, XLogP of 1.46, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate is sourced from PubChem (CID 59601723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).